N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide

C27H38N6O6S — CID 123894243

IUPACN-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide
SMILESCCOc1cc2cc(-c3c(C)nc(NCC4CC4)nc3NC3CC(CN(C)S(C)(=O)=O)C(O)C3O)oc2c(C)n1
InChIInChI=1S/C27H38N6O6S/c1-6-38-21-11-17-10-20(39-25(17)15(3)29-21)22-14(2)30-27(28-12-16-7-8-16)32-26(22)31-19-9-18(23(34)24(19)35)13-33(4)40(5,36)37/h10-11,16,18-19,23-24,34-35H,6-9,12-13H2,1-5H3,(H2,28,30,31,32)
InChIKeyYQFIHSSJXNHAJJ-UHFFFAOYSA-N
MW574.70 g/mol
LogP2.54
Rot. Bonds11

About N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide

N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide (PubChem CID 123894243) has the molecular formula C27H38N6O6S and a molecular weight of 574.70 g/mol. Its IUPAC name is N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide
PubChem CID123894243
Molecular FormulaC27H38N6O6S
Molecular Weight574.70 g/mol
Exact Mass574.26
IUPAC NameN-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide
SMILESCCOc1cc2cc(-c3c(C)nc(NCC4CC4)nc3NC3CC(CN(C)S(C)(=O)=O)C(O)C3O)oc2c(C)n1
InChIInChI=1S/C27H38N6O6S/c1-6-38-21-11-17-10-20(39-25(17)15(3)29-21)22-14(2)30-27(28-12-16-7-8-16)32-26(22)31-19-9-18(23(34)24(19)35)13-33(4)40(5,36)37/h10-11,16,18-19,23-24,34-35H,6-9,12-13H2,1-5H3,(H2,28,30,31,32)
InChIKeyYQFIHSSJXNHAJJ-UHFFFAOYSA-N
XLogP2.54
TPSA162.94 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.70
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide (CID 123894243) is N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide is CCOc1cc2cc(-c3c(C)nc(NCC4CC4)nc3NC3CC(CN(C)S(C)(=O)=O)C(O)C3O)oc2c(C)n1.
What is the InChIKey of N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide?
The InChIKey is YQFIHSSJXNHAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O6S/c1-6-38-21-11-17-10-20(39-25(17)15(3)29-21)22-14(2)30-27(28-12-16-7-8-16)32-26(22)31-19-9-18(23(34)24(19)35)13-33(4)40(5,36)37/h10-11,16,18-19,23-24,34-35H,6-9,12-13H2,1-5H3,(H2,28,30,31,32).
What are the key properties of N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide?
N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide has a molecular weight of 574.70 g/mol, XLogP of 2.54, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 123894243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).