[(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol

C24H31N5O3 — CID 70643630

IUPAC[(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCOc1nc(C)cc2cc(-c3c(C)nc(NCC4CC4)nc3N[C@H]3CC[C@@H](CO)C3)oc12
InChIInChI=1S/C24H31N5O3/c1-13-8-17-10-19(32-21(17)23(26-13)31-3)20-14(2)27-24(25-11-15-4-5-15)29-22(20)28-18-7-6-16(9-18)12-30/h8,10,15-16,18,30H,4-7,9,11-12H2,1-3H3,(H2,25,27,28,29)/t16-,18+/m1/s1
InChIKeyPVZYRHBPNLFNNY-AEFFLSMTSA-N
MW437.54 g/mol
LogP4.31
Rot. Bonds8

About [(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol

[(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 70643630) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is [(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID70643630
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name[(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCOc1nc(C)cc2cc(-c3c(C)nc(NCC4CC4)nc3N[C@H]3CC[C@@H](CO)C3)oc12
InChIInChI=1S/C24H31N5O3/c1-13-8-17-10-19(32-21(17)23(26-13)31-3)20-14(2)27-24(25-11-15-4-5-15)29-22(20)28-18-7-6-16(9-18)12-30/h8,10,15-16,18,30H,4-7,9,11-12H2,1-3H3,(H2,25,27,28,29)/t16-,18+/m1/s1
InChIKeyPVZYRHBPNLFNNY-AEFFLSMTSA-N
XLogP4.31
TPSA105.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol (CID 70643630) is [(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol is COc1nc(C)cc2cc(-c3c(C)nc(NCC4CC4)nc3N[C@H]3CC[C@@H](CO)C3)oc12.
What is the InChIKey of [(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is PVZYRHBPNLFNNY-AEFFLSMTSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-13-8-17-10-19(32-21(17)23(26-13)31-3)20-14(2)27-24(25-11-15-4-5-15)29-22(20)28-18-7-6-16(9-18)12-30/h8,10,15-16,18,30H,4-7,9,11-12H2,1-3H3,(H2,25,27,28,29)/t16-,18+/m1/s1.
What are the key properties of [(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol?
[(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 437.54 g/mol, XLogP of 4.31, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 70643630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).