(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine

C23H23ClN8OS — CID 153159606

IUPAC(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine
SMILESCc1nc(N2CCC3(CC2)Oc2cnccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C23H23ClN8OS/c1-13-18(34-16-3-7-28-20(26)17(16)24)21-29-8-11-32(21)22(30-13)31-9-4-23(5-10-31)19(25)14-2-6-27-12-15(14)33-23/h2-3,6-8,11-12,19H,4-5,9-10,25H2,1H3,(H2,26,28)/t19-/m1/s1
InChIKeyWCCBWXRKALUNBQ-LJQANCHMSA-N
MW495.01 g/mol
LogP3.65
Rot. Bonds3

About (3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine

(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine (PubChem CID 153159606) has the molecular formula C23H23ClN8OS and a molecular weight of 495.01 g/mol. Its IUPAC name is (3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine.

Molecular Properties

Compound Name(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine
PubChem CID153159606
Molecular FormulaC23H23ClN8OS
Molecular Weight495.01 g/mol
Exact Mass494.14
IUPAC Name(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine
SMILESCc1nc(N2CCC3(CC2)Oc2cnccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C23H23ClN8OS/c1-13-18(34-16-3-7-28-20(26)17(16)24)21-29-8-11-32(21)22(30-13)31-9-4-23(5-10-31)19(25)14-2-6-27-12-15(14)33-23/h2-3,6-8,11-12,19H,4-5,9-10,25H2,1H3,(H2,26,28)/t19-/m1/s1
InChIKeyWCCBWXRKALUNBQ-LJQANCHMSA-N
XLogP3.65
TPSA120.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.01
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine?
The IUPAC name of (3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine (CID 153159606) is (3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine.
What is the SMILES notation for (3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine?
The canonical SMILES for (3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine is Cc1nc(N2CCC3(CC2)Oc2cnccc2[C@H]3N)n2ccnc2c1Sc1ccnc(N)c1Cl.
What is the InChIKey of (3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine?
The InChIKey is WCCBWXRKALUNBQ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23ClN8OS/c1-13-18(34-16-3-7-28-20(26)17(16)24)21-29-8-11-32(21)22(30-13)31-9-4-23(5-10-31)19(25)14-2-6-27-12-15(14)33-23/h2-3,6-8,11-12,19H,4-5,9-10,25H2,1H3,(H2,26,28)/t19-/m1/s1.
What are the key properties of (3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine?
(3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine has a molecular weight of 495.01 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-amine is sourced from PubChem (CID 153159606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).