methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone

C20H23N7OS — CID 157463106

IUPACmethane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone
SMILESC.CNC1CCN(C(=O)c2cc(-c3cnn4cc(-c5cn[nH]c5)cnc34)cs2)C1
InChIInChI=1S/C19H19N7OS.CH4/c1-20-15-2-3-25(10-15)19(27)17-4-12(11-28-17)16-8-24-26-9-14(5-21-18(16)26)13-6-22-23-7-13;/h4-9,11,15,20H,2-3,10H2,1H3,(H,22,23);1H4
InChIKeyBUDUXCCUADASJX-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.92
Rot. Bonds4

About methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone

methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone (PubChem CID 157463106) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Namemethane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone
PubChem CID157463106
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Namemethane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone
SMILESC.CNC1CCN(C(=O)c2cc(-c3cnn4cc(-c5cn[nH]c5)cnc34)cs2)C1
InChIInChI=1S/C19H19N7OS.CH4/c1-20-15-2-3-25(10-15)19(27)17-4-12(11-28-17)16-8-24-26-9-14(5-21-18(16)26)13-6-22-23-7-13;/h4-9,11,15,20H,2-3,10H2,1H3,(H,22,23);1H4
InChIKeyBUDUXCCUADASJX-UHFFFAOYSA-N
XLogP2.92
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
CID 143750508
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone
CID 59604045
N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 70820328
N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 70820315
methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 157447833
N-cyclopropyl-4-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 24758311
piperidin-1-yl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone
CID 59495054
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
CID 59603852
N-[(1R,2R)-2-aminocyclopentyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 155558700
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
CID 68775357
4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide
CID 168962397
4-[6-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
CID 168962401

Frequently Asked Questions

What is the IUPAC name of methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone?
The IUPAC name of methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone (CID 157463106) is methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone.
What is the SMILES notation for methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone?
The canonical SMILES for methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone is C.CNC1CCN(C(=O)c2cc(-c3cnn4cc(-c5cn[nH]c5)cnc34)cs2)C1.
What is the InChIKey of methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone?
The InChIKey is BUDUXCCUADASJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7OS.CH4/c1-20-15-2-3-25(10-15)19(27)17-4-12(11-28-17)16-8-24-26-9-14(5-21-18(16)26)13-6-22-23-7-13;/h4-9,11,15,20H,2-3,10H2,1H3,(H,22,23);1H4.
What are the key properties of methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone?
methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone has a molecular weight of 409.52 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 157463106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).