1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C21H25F3N8O — CID 155154979

IUPAC1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1nn(C2CCNCC2)c2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C21H25F3N8O/c22-21(23,24)5-9-27-20(33)17-15-11-31(19-14-3-8-26-18(14)28-12-29-19)10-4-16(15)32(30-17)13-1-6-25-7-2-13/h3,8,12-13,25H,1-2,4-7,9-11H2,(H,27,33)(H,26,28,29)
InChIKeyUGZZRLFGZRYQPO-UHFFFAOYSA-N
MW462.48 g/mol
LogP2.32
Rot. Bonds5

About 1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 155154979) has the molecular formula C21H25F3N8O and a molecular weight of 462.48 g/mol. Its IUPAC name is 1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID155154979
Molecular FormulaC21H25F3N8O
Molecular Weight462.48 g/mol
Exact Mass462.21
IUPAC Name1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1nn(C2CCNCC2)c2c1CN(c1ncnc3[nH]ccc13)CC2
InChIInChI=1S/C21H25F3N8O/c22-21(23,24)5-9-27-20(33)17-15-11-31(19-14-3-8-26-18(14)28-12-29-19)10-4-16(15)32(30-17)13-1-6-25-7-2-13/h3,8,12-13,25H,1-2,4-7,9-11H2,(H,27,33)(H,26,28,29)
InChIKeyUGZZRLFGZRYQPO-UHFFFAOYSA-N
XLogP2.32
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 155154979) is 1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCCC(F)(F)F)c1nn(C2CCNCC2)c2c1CN(c1ncnc3[nH]ccc13)CC2.
What is the InChIKey of 1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is UGZZRLFGZRYQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N8O/c22-21(23,24)5-9-27-20(33)17-15-11-31(19-14-3-8-26-18(14)28-12-29-19)10-4-16(15)32(30-17)13-1-6-25-7-2-13/h3,8,12-13,25H,1-2,4-7,9-11H2,(H,27,33)(H,26,28,29).
What are the key properties of 1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 155154979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).