5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride

C22H28ClN7OS — CID 136984091

IUPAC5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride
SMILESCl.O=c1[nH]c(N2CCCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2c(C3CC3)nccc2s1
InChIInChI=1S/C22H27N7OS.ClH/c30-20-16(21-26-18-15(31-21)7-9-24-17(18)13-5-6-13)19(25-14-4-3-8-23-12-14)27-22(28-20)29-10-1-2-11-29;/h7,9,13-14,23H,1-6,8,10-12H2,(H2,25,27,28,30);1H/t14-;/m1./s1
InChIKeyWKVDRYQFMVQSFK-PFEQFJNWSA-N
MW474.03 g/mol
LogP3.50
Rot. Bonds5

About 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride

5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 136984091) has the molecular formula C22H28ClN7OS and a molecular weight of 474.03 g/mol. Its IUPAC name is 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride
PubChem CID136984091
Molecular FormulaC22H28ClN7OS
Molecular Weight474.03 g/mol
Exact Mass473.18
IUPAC Name5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride
SMILESCl.O=c1[nH]c(N2CCCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2c(C3CC3)nccc2s1
InChIInChI=1S/C22H27N7OS.ClH/c30-20-16(21-26-18-15(31-21)7-9-24-17(18)13-5-6-13)19(25-14-4-3-8-23-12-14)27-22(28-20)29-10-1-2-11-29;/h7,9,13-14,23H,1-6,8,10-12H2,(H2,25,27,28,30);1H/t14-;/m1./s1
InChIKeyWKVDRYQFMVQSFK-PFEQFJNWSA-N
XLogP3.50
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride with MolForge

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Related Compounds

5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(4-methylpiperazin-1-yl)-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136983878
5-(1,3-benzothiazol-2-yl)-2-piperidin-1-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136504513
4-(azepan-3-ylamino)-5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride
CID 136983946
5-(6-fluoro-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;hydrochloride
CID 136984104
5-(1,3-benzothiazol-2-yl)-4-(piperidin-3-ylamino)-2-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136983943
5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-(pyrrolidin-3-ylamino)-1H-pyrimidin-6-one;hydrochloride
CID 136983940
5-(1,3-benzothiazol-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136504511
5-(7-cyclopropyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 136984051
5-(1,3-benzothiazol-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-(1-pyridin-2-ylpiperidin-4-yl)-1H-pyrimidin-6-one
CID 136508751
2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
CID 136508716
5-(1,3-benzothiazol-2-yl)-2-[2-(4-chlorophenyl)-2-methylmorpholin-4-yl]-4-(piperidin-3-ylamino)-1H-pyrimidin-6-one;hydrochloride
CID 136984136
2-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-5-(1,3-benzothiazol-2-yl)-4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 137031509

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride (CID 136984091) is 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride is Cl.O=c1[nH]c(N2CCCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2c(C3CC3)nccc2s1.
What is the InChIKey of 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is WKVDRYQFMVQSFK-PFEQFJNWSA-N. The full InChI is InChI=1S/C22H27N7OS.ClH/c30-20-16(21-26-18-15(31-21)7-9-24-17(18)13-5-6-13)19(25-14-4-3-8-23-12-14)27-22(28-20)29-10-1-2-11-29;/h7,9,13-14,23H,1-6,8,10-12H2,(H2,25,27,28,30);1H/t14-;/m1./s1.
What are the key properties of 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride?
5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 474.03 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-[[(3R)-piperidin-3-yl]amino]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 136984091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).