N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C34H35N9O3 — CID 166937788

IUPACN-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNc1ncnn2c(C3CCN(C(=O)C4CC4)CC3)cc(-c3ccc(NC(=O)c4c5n(n(-c6ccncc6)c4=O)CCCC5)cc3)c12
InChIInChI=1S/C34H35N9O3/c35-31-30-26(19-28(42(30)38-20-37-31)22-12-17-40(18-13-22)33(45)23-4-5-23)21-6-8-24(9-7-21)39-32(44)29-27-3-1-2-16-41(27)43(34(29)46)25-10-14-36-15-11-25/h6-11,14-15,19-20,22-23H,1-5,12-13,16-18H2,(H,39,44)(H2,35,37,38)
InChIKeyODROXAQCFVNJKU-UHFFFAOYSA-N
MW617.71 g/mol
LogP4.03
Rot. Bonds6

About N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 166937788) has the molecular formula C34H35N9O3 and a molecular weight of 617.71 g/mol. Its IUPAC name is N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID166937788
Molecular FormulaC34H35N9O3
Molecular Weight617.71 g/mol
Exact Mass617.29
IUPAC NameN-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNc1ncnn2c(C3CCN(C(=O)C4CC4)CC3)cc(-c3ccc(NC(=O)c4c5n(n(-c6ccncc6)c4=O)CCCC5)cc3)c12
InChIInChI=1S/C34H35N9O3/c35-31-30-26(19-28(42(30)38-20-37-31)22-12-17-40(18-13-22)33(45)23-4-5-23)21-6-8-24(9-7-21)39-32(44)29-27-3-1-2-16-41(27)43(34(29)46)25-10-14-36-15-11-25/h6-11,14-15,19-20,22-23H,1-5,12-13,16-18H2,(H,39,44)(H2,35,37,38)
InChIKeyODROXAQCFVNJKU-UHFFFAOYSA-N
XLogP4.03
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.71
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 166937788) is N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is Nc1ncnn2c(C3CCN(C(=O)C4CC4)CC3)cc(-c3ccc(NC(=O)c4c5n(n(-c6ccncc6)c4=O)CCCC5)cc3)c12.
What is the InChIKey of N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ODROXAQCFVNJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N9O3/c35-31-30-26(19-28(42(30)38-20-37-31)22-12-17-40(18-13-22)33(45)23-4-5-23)21-6-8-24(9-7-21)39-32(44)29-27-3-1-2-16-41(27)43(34(29)46)25-10-14-36-15-11-25/h6-11,14-15,19-20,22-23H,1-5,12-13,16-18H2,(H,39,44)(H2,35,37,38).
What are the key properties of N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 617.71 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-7-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-2-oxo-1-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 166937788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).