2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide

C49H58N14O6S2 — CID 145234595

IUPAC2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide
SMILESCCc1cc(C2=CCN(S(C)(=O)=O)CC2)ncc1N(C)c1cc2c(ncn2C)c(NC(=O)C2CC2N(c2cc3c(ncn3C)c(NC(=O)C3CC3)n2)c2cnc(C3=CCN(S(C)(=O)=O)CC3)cc2CC)n1
InChIInChI=1S/C49H58N14O6S2/c1-8-29-20-35(31-12-16-61(17-13-31)70(6,66)67)50-25-40(29)60(5)42-23-38-44(52-27-58(38)3)46(54-42)57-49(65)34-22-37(34)63(43-24-39-45(53-28-59(39)4)47(55-43)56-48(64)33-10-11-33)41-26-51-36(21-30(41)9-2)32-14-18-62(19-15-32)71(7,68)69/h12,14,20-21,23-28,33-34,37H,8-11,13,15-19,22H2,1-7H3,(H,54,57,65)(H,55,56,64)
InChIKeyKWZOPLXTMHHIQB-UHFFFAOYSA-N
MW1003.23 g/mol
LogP5.54
Rot. Bonds15

About 2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide

2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide (PubChem CID 145234595) has the molecular formula C49H58N14O6S2 and a molecular weight of 1003.23 g/mol. Its IUPAC name is 2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide
PubChem CID145234595
Molecular FormulaC49H58N14O6S2
Molecular Weight1003.23 g/mol
Exact Mass1002.41
IUPAC Name2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide
SMILESCCc1cc(C2=CCN(S(C)(=O)=O)CC2)ncc1N(C)c1cc2c(ncn2C)c(NC(=O)C2CC2N(c2cc3c(ncn3C)c(NC(=O)C3CC3)n2)c2cnc(C3=CCN(S(C)(=O)=O)CC3)cc2CC)n1
InChIInChI=1S/C49H58N14O6S2/c1-8-29-20-35(31-12-16-61(17-13-31)70(6,66)67)50-25-40(29)60(5)42-23-38-44(52-27-58(38)3)46(54-42)57-49(65)34-22-37(34)63(43-24-39-45(53-28-59(39)4)47(55-43)56-48(64)33-10-11-33)41-26-51-36(21-30(41)9-2)32-14-18-62(19-15-32)71(7,68)69/h12,14,20-21,23-28,33-34,37H,8-11,13,15-19,22H2,1-7H3,(H,54,57,65)(H,55,56,64)
InChIKeyKWZOPLXTMHHIQB-UHFFFAOYSA-N
XLogP5.54
TPSA226.64 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001003.23
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide (CID 145234595) is 2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide is CCc1cc(C2=CCN(S(C)(=O)=O)CC2)ncc1N(C)c1cc2c(ncn2C)c(NC(=O)C2CC2N(c2cc3c(ncn3C)c(NC(=O)C3CC3)n2)c2cnc(C3=CCN(S(C)(=O)=O)CC3)cc2CC)n1.
What is the InChIKey of 2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is KWZOPLXTMHHIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H58N14O6S2/c1-8-29-20-35(31-12-16-61(17-13-31)70(6,66)67)50-25-40(29)60(5)42-23-38-44(52-27-58(38)3)46(54-42)57-49(65)34-22-37(34)63(43-24-39-45(53-28-59(39)4)47(55-43)56-48(64)33-10-11-33)41-26-51-36(21-30(41)9-2)32-14-18-62(19-15-32)71(7,68)69/h12,14,20-21,23-28,33-34,37H,8-11,13,15-19,22H2,1-7H3,(H,54,57,65)(H,55,56,64).
What are the key properties of 2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide?
2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 1003.23 g/mol, XLogP of 5.54, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropanecarbonylamino)-1-methylimidazo[4,5-c]pyridin-6-yl]-[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]amino]-N-[6-[[4-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-methylamino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 145234595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).