N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide

C19H21N7O — CID 121427552

IUPACN-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1nn([C@H](CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12
InChIInChI=1S/C19H21N7O/c1-12(27)24-19-15(17-14-7-9-21-18(14)23-11-22-17)10-26(25-19)16(6-8-20)13-4-2-3-5-13/h7,9-11,13,16H,2-6H2,1H3,(H,21,22,23)(H,24,25,27)/t16-/m1/s1
InChIKeyADBZUONSAZZKKH-MRXNPFEDSA-N
MW363.43 g/mol
LogP3.42
Rot. Bonds5

About N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide

N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide (PubChem CID 121427552) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide
PubChem CID121427552
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1nn([C@H](CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12
InChIInChI=1S/C19H21N7O/c1-12(27)24-19-15(17-14-7-9-21-18(14)23-11-22-17)10-26(25-19)16(6-8-20)13-4-2-3-5-13/h7,9-11,13,16H,2-6H2,1H3,(H,21,22,23)(H,24,25,27)/t16-/m1/s1
InChIKeyADBZUONSAZZKKH-MRXNPFEDSA-N
XLogP3.42
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide (CID 121427552) is N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide is CC(=O)Nc1nn([C@H](CC#N)C2CCCC2)cc1-c1ncnc2[nH]ccc12.
What is the InChIKey of N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide?
The InChIKey is ADBZUONSAZZKKH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N7O/c1-12(27)24-19-15(17-14-7-9-21-18(14)23-11-22-17)10-26(25-19)16(6-8-20)13-4-2-3-5-13/h7,9-11,13,16H,2-6H2,1H3,(H,21,22,23)(H,24,25,27)/t16-/m1/s1.
What are the key properties of N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide?
N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide has a molecular weight of 363.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R)-2-cyano-1-cyclopentylethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 121427552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).