6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide

C30H29N7OS — CID 42623129

IUPAC6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESCCN1CCC(Nc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C30H29N7OS/c1-2-37-17-14-21(15-18-37)32-26-19-25(33-27(36-26)20-9-4-3-5-10-20)28(38)34-23-12-7-6-11-22(23)29-35-24-13-8-16-31-30(24)39-29/h3-13,16,19,21H,2,14-15,17-18H2,1H3,(H,34,38)(H,32,33,36)
InChIKeyNUALTMGMJHEYBY-UHFFFAOYSA-N
MW535.68 g/mol
LogP5.96
Rot. Bonds7

About 6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide

6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 42623129) has the molecular formula C30H29N7OS and a molecular weight of 535.68 g/mol. Its IUPAC name is 6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID42623129
Molecular FormulaC30H29N7OS
Molecular Weight535.68 g/mol
Exact Mass535.22
IUPAC Name6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
SMILESCCN1CCC(Nc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C30H29N7OS/c1-2-37-17-14-21(15-18-37)32-26-19-25(33-27(36-26)20-9-4-3-5-10-20)28(38)34-23-12-7-6-11-22(23)29-35-24-13-8-16-31-30(24)39-29/h3-13,16,19,21H,2,14-15,17-18H2,1H3,(H,34,38)(H,32,33,36)
InChIKeyNUALTMGMJHEYBY-UHFFFAOYSA-N
XLogP5.96
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.68
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-phenyl-6-[[(3R)-piperidin-3-yl]amino]-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624295
6-(benzylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101482
6-(2-aminoethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101617
6-(1,3-dihydroxypropan-2-ylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 66867745
2-phenyl-6-(pyrrolidin-1-ylmethyl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624112
6-[[(2S)-2,3-dihydroxypropyl]amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 42624296
6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 143803020
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101536
6-(2-aminoethoxy)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101513
4-(4-butylpiperazin-1-yl)-6-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 71013781
6-[[(5R)-2,2-dimethyl-1,3-oxaphospholan-5-yl]methoxy]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58101602
6-phenyl-4-(4-propan-2-ylpiperazin-1-yl)-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 58101527

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (CID 42623129) is 6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is CCN1CCC(Nc2cc(C(=O)Nc3ccccc3-c3nc4cccnc4s3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is NUALTMGMJHEYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7OS/c1-2-37-17-14-21(15-18-37)32-26-19-25(33-27(36-26)20-9-4-3-5-10-20)28(38)34-23-12-7-6-11-22(23)29-35-24-13-8-16-31-30(24)39-29/h3-13,16,19,21H,2,14-15,17-18H2,1H3,(H,34,38)(H,32,33,36).
What are the key properties of 6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?
6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 535.68 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpiperidin-4-yl)amino]-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 42623129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).