1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one

C20H24N8OS — CID 153383646

IUPAC1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one
SMILESCC(C)(C)NC1CCN(c2nc3[nH]c(-n4ccc(-c5cn[nH]c5)cc4=O)nc3s2)C1
InChIInChI=1S/C20H24N8OS/c1-20(2,3)26-14-5-6-27(11-14)19-24-16-17(30-19)25-18(23-16)28-7-4-12(8-15(28)29)13-9-21-22-10-13/h4,7-10,14,26H,5-6,11H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyIYQSDHRZWDVAQN-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.53
Rot. Bonds4

About 1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one

1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one (PubChem CID 153383646) has the molecular formula C20H24N8OS and a molecular weight of 424.53 g/mol. Its IUPAC name is 1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one
PubChem CID153383646
Molecular FormulaC20H24N8OS
Molecular Weight424.53 g/mol
Exact Mass424.18
IUPAC Name1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one
SMILESCC(C)(C)NC1CCN(c2nc3[nH]c(-n4ccc(-c5cn[nH]c5)cc4=O)nc3s2)C1
InChIInChI=1S/C20H24N8OS/c1-20(2,3)26-14-5-6-27(11-14)19-24-16-17(30-19)25-18(23-16)28-7-4-12(8-15(28)29)13-9-21-22-10-13/h4,7-10,14,26H,5-6,11H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyIYQSDHRZWDVAQN-UHFFFAOYSA-N
XLogP2.53
TPSA107.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one?
The IUPAC name of 1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one (CID 153383646) is 1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one is CC(C)(C)NC1CCN(c2nc3[nH]c(-n4ccc(-c5cn[nH]c5)cc4=O)nc3s2)C1.
What is the InChIKey of 1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one?
The InChIKey is IYQSDHRZWDVAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8OS/c1-20(2,3)26-14-5-6-27(11-14)19-24-16-17(30-19)25-18(23-16)28-7-4-12(8-15(28)29)13-9-21-22-10-13/h4,7-10,14,26H,5-6,11H2,1-3H3,(H,21,22)(H,23,25).
What are the key properties of 1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one?
1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one has a molecular weight of 424.53 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(tert-butylamino)pyrrolidin-1-yl]-4H-imidazo[4,5-d][1,3]thiazol-5-yl]-4-(1H-pyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 153383646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).