1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

C55H62Cl2N10O2 — CID 157349088

IUPAC1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
SMILESCN1CCC(c2ccc(Cc3ncc(Cl)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)CC1.NC(=O)C1(c2ccccc2CCc2nc(Cc3ccc(C4CCNCC4)nc3)ncc2Cl)CC1
InChIInChI=1S/C28H32ClN5O.C27H30ClN5O/c1-34-14-10-21(11-15-34)24-8-6-19(17-31-24)16-26-32-18-23(29)25(33-26)9-7-20-4-2-3-5-22(20)28(12-13-28)27(30)35;28-22-17-32-25(15-18-5-7-23(31-16-18)20-9-13-30-14-10-20)33-24(22)8-6-19-3-1-2-4-21(19)27(11-12-27)26(29)34/h2-6,8,17-18,21H,7,9-16H2,1H3,(H2,30,35);1-5,7,16-17,20,30H,6,8-15H2,(H2,29,34)
InChIKeyBHHWSJUGQOGARX-UHFFFAOYSA-N
MW966.07 g/mol
LogP8.11
Rot. Bonds16

About 1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide

1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 157349088) has the molecular formula C55H62Cl2N10O2 and a molecular weight of 966.07 g/mol. Its IUPAC name is 1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
PubChem CID157349088
Molecular FormulaC55H62Cl2N10O2
Molecular Weight966.07 g/mol
Exact Mass964.44
IUPAC Name1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide
SMILESCN1CCC(c2ccc(Cc3ncc(Cl)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)CC1.NC(=O)C1(c2ccccc2CCc2nc(Cc3ccc(C4CCNCC4)nc3)ncc2Cl)CC1
InChIInChI=1S/C28H32ClN5O.C27H30ClN5O/c1-34-14-10-21(11-15-34)24-8-6-19(17-31-24)16-26-32-18-23(29)25(33-26)9-7-20-4-2-3-5-22(20)28(12-13-28)27(30)35;28-22-17-32-25(15-18-5-7-23(31-16-18)20-9-13-30-14-10-20)33-24(22)8-6-19-3-1-2-4-21(19)27(11-12-27)26(29)34/h2-6,8,17-18,21H,7,9-16H2,1H3,(H2,30,35);1-5,7,16-17,20,30H,6,8-15H2,(H2,29,34)
InChIKeyBHHWSJUGQOGARX-UHFFFAOYSA-N
XLogP8.11
TPSA178.79 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.07
LogP ≤ 58.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide (CID 157349088) is 1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide is CN1CCC(c2ccc(Cc3ncc(Cl)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)CC1.NC(=O)C1(c2ccccc2CCc2nc(Cc3ccc(C4CCNCC4)nc3)ncc2Cl)CC1.
What is the InChIKey of 1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is BHHWSJUGQOGARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O.C27H30ClN5O/c1-34-14-10-21(11-15-34)24-8-6-19(17-31-24)16-26-32-18-23(29)25(33-26)9-7-20-4-2-3-5-22(20)28(12-13-28)27(30)35;28-22-17-32-25(15-18-5-7-23(31-16-18)20-9-13-30-14-10-20)33-24(22)8-6-19-3-1-2-4-21(19)27(11-12-27)26(29)34/h2-6,8,17-18,21H,7,9-16H2,1H3,(H2,30,35);1-5,7,16-17,20,30H,6,8-15H2,(H2,29,34).
What are the key properties of 1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide?
1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 966.07 g/mol, XLogP of 8.11, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[5-chloro-2-[[6-(1-methylpiperidin-4-yl)-3-pyridinyl]methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide;1-[2-[2-[5-chloro-2-[(6-piperidin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]ethyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 157349088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).