1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide

C37H40N10O4S2 — CID 138627139

IUPAC1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCCCc1cc(-n2cc(-c3ccc(NS(C)(=O)=O)cn3)cn2)cc(-c2cc(-n3cc(-c4ccc(NS(=O)(=O)CC5CC5)cn4)cn3)cc(CCC)n2)n1
InChIInChI=1S/C37H40N10O4S2/c1-4-6-28-14-32(46-22-26(18-40-46)34-12-10-30(20-38-34)44-52(3,48)49)16-36(42-28)37-17-33(15-29(43-37)7-5-2)47-23-27(19-41-47)35-13-11-31(21-39-35)45-53(50,51)24-25-8-9-25/h10-23,25,44-45H,4-9,24H2,1-3H3
InChIKeyZPAXGFGMMQMJPX-UHFFFAOYSA-N
MW752.93 g/mol
LogP6.07
Rot. Bonds15

About 1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide

1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 138627139) has the molecular formula C37H40N10O4S2 and a molecular weight of 752.93 g/mol. Its IUPAC name is 1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide
PubChem CID138627139
Molecular FormulaC37H40N10O4S2
Molecular Weight752.93 g/mol
Exact Mass752.27
IUPAC Name1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide
SMILESCCCc1cc(-n2cc(-c3ccc(NS(C)(=O)=O)cn3)cn2)cc(-c2cc(-n3cc(-c4ccc(NS(=O)(=O)CC5CC5)cn4)cn3)cc(CCC)n2)n1
InChIInChI=1S/C37H40N10O4S2/c1-4-6-28-14-32(46-22-26(18-40-46)34-12-10-30(20-38-34)44-52(3,48)49)16-36(42-28)37-17-33(15-29(43-37)7-5-2)47-23-27(19-41-47)35-13-11-31(21-39-35)45-53(50,51)24-25-8-9-25/h10-23,25,44-45H,4-9,24H2,1-3H3
InChIKeyZPAXGFGMMQMJPX-UHFFFAOYSA-N
XLogP6.07
TPSA179.54 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500752.93
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide (CID 138627139) is 1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide is CCCc1cc(-n2cc(-c3ccc(NS(C)(=O)=O)cn3)cn2)cc(-c2cc(-n3cc(-c4ccc(NS(=O)(=O)CC5CC5)cn4)cn3)cc(CCC)n2)n1.
What is the InChIKey of 1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is ZPAXGFGMMQMJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N10O4S2/c1-4-6-28-14-32(46-22-26(18-40-46)34-12-10-30(20-38-34)44-52(3,48)49)16-36(42-28)37-17-33(15-29(43-37)7-5-2)47-23-27(19-41-47)35-13-11-31(21-39-35)45-53(50,51)24-25-8-9-25/h10-23,25,44-45H,4-9,24H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide?
1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 752.93 g/mol, XLogP of 6.07, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[6-[1-[2-[4-[4-[5-(methanesulfonamido)-2-pyridinyl]pyrazol-1-yl]-6-propyl-2-pyridinyl]-6-propyl-4-pyridinyl]pyrazol-4-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 138627139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).