5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine

C16H17ClN6 — CID 162673234

IUPAC5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine
SMILESClc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cccnc12
InChIInChI=1S/C16H17ClN6/c17-12-9-21-16(22-10-3-1-5-18-7-10)23-14(12)11-8-20-13-4-2-6-19-15(11)13/h2,4,6,8-10,18,20H,1,3,5,7H2,(H,21,22,23)/t10-/m0/s1
InChIKeyREOHBDCKJQYOFZ-JTQLQIEISA-N
MW328.81 g/mol
LogP2.84
Rot. Bonds3

About 5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine

5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 162673234) has the molecular formula C16H17ClN6 and a molecular weight of 328.81 g/mol. Its IUPAC name is 5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID162673234
Molecular FormulaC16H17ClN6
Molecular Weight328.81 g/mol
Exact Mass328.12
IUPAC Name5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine
SMILESClc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cccnc12
InChIInChI=1S/C16H17ClN6/c17-12-9-21-16(22-10-3-1-5-18-7-10)23-14(12)11-8-20-13-4-2-6-19-15(11)13/h2,4,6,8-10,18,20H,1,3,5,7H2,(H,21,22,23)/t10-/m0/s1
InChIKeyREOHBDCKJQYOFZ-JTQLQIEISA-N
XLogP2.84
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine with MolForge

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Related Compounds

5-ethynyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 162667587
1-[3-[5-chloro-2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-1H-indol-7-yl]ethanone
CID 162662638
N-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide;hydrochloride
CID 118418007
N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide
CID 140941069
(3R)-N-[(1S)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-3-carboxamide
CID 129306125
5-chloro-4-(1H-indol-3-yl)-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidin-2-amine
CID 162674952
cis-(1S,3R)-1-N-chloro-3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]cyclohexane-1,3-diamine
CID 118426018
5-ethyl-4-(5-methyl-1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 162663968
N-[(3R)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71637328
3-[2-(piperidin-3-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]azepin-8-one
CID 171102504
4-chloro-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 71640268
N-[4-[(3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]phenyl]-3-[3-[5-chloro-2-[[(3R)-piperidin-3-yl]amino]pyrimidin-4-yl]-1H-indol-6-yl]prop-2-enamide
CID 134560380

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine (CID 162673234) is 5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine is Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cccnc12.
What is the InChIKey of 5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is REOHBDCKJQYOFZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17ClN6/c17-12-9-21-16(22-10-3-1-5-18-7-10)23-14(12)11-8-20-13-4-2-6-19-15(11)13/h2,4,6,8-10,18,20H,1,3,5,7H2,(H,21,22,23)/t10-/m0/s1.
What are the key properties of 5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine?
5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 328.81 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S)-piperidin-3-yl]-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 162673234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).