N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide

C28H38N8O2 — CID 167449202

IUPACN-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESC[C@@H]1c2cc(Nc3cc(C(C)(C)C)n([C@@H]4CCOC4)n3)nn2CCN1Cc1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C28H38N8O2/c1-18-22-14-25(30-26-15-23(28(2,3)4)36(33-26)21-8-12-38-17-21)32-35(22)11-10-34(18)16-19-7-9-29-24(13-19)31-27(37)20-5-6-20/h7,9,13-15,18,20-21H,5-6,8,10-12,16-17H2,1-4H3,(H,29,31,37)(H,30,32,33)/t18-,21-/m1/s1
InChIKeyXLOIEXNPQVKOMM-WIYYLYMNSA-N
MW518.67 g/mol
LogP4.40
Rot. Bonds7

About N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 167449202) has the molecular formula C28H38N8O2 and a molecular weight of 518.67 g/mol. Its IUPAC name is N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID167449202
Molecular FormulaC28H38N8O2
Molecular Weight518.67 g/mol
Exact Mass518.31
IUPAC NameN-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESC[C@@H]1c2cc(Nc3cc(C(C)(C)C)n([C@@H]4CCOC4)n3)nn2CCN1Cc1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C28H38N8O2/c1-18-22-14-25(30-26-15-23(28(2,3)4)36(33-26)21-8-12-38-17-21)32-35(22)11-10-34(18)16-19-7-9-29-24(13-19)31-27(37)20-5-6-20/h7,9,13-15,18,20-21H,5-6,8,10-12,16-17H2,1-4H3,(H,29,31,37)(H,30,32,33)/t18-,21-/m1/s1
InChIKeyXLOIEXNPQVKOMM-WIYYLYMNSA-N
XLogP4.40
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.67
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide (CID 167449202) is N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide is C[C@@H]1c2cc(Nc3cc(C(C)(C)C)n([C@@H]4CCOC4)n3)nn2CCN1Cc1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is XLOIEXNPQVKOMM-WIYYLYMNSA-N. The full InChI is InChI=1S/C28H38N8O2/c1-18-22-14-25(30-26-15-23(28(2,3)4)36(33-26)21-8-12-38-17-21)32-35(22)11-10-34(18)16-19-7-9-29-24(13-19)31-27(37)20-5-6-20/h7,9,13-15,18,20-21H,5-6,8,10-12,16-17H2,1-4H3,(H,29,31,37)(H,30,32,33)/t18-,21-/m1/s1.
What are the key properties of N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 518.67 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4R)-2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 167449202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).