N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine

C30H40N6O3 — CID 59703373

IUPACN-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CNC1CCCC1
InChIInChI=1S/C30H40N6O3/c1-20-18-38-14-12-35(20)29-25-9-10-26(32-28(25)33-30(34-29)36-13-15-39-19-21(36)2)22-8-11-27(37-3)23(16-22)17-31-24-6-4-5-7-24/h8-11,16,20-21,24,31H,4-7,12-15,17-19H2,1-3H3/t20-,21-/m0/s1
InChIKeyNQFWHPQMBHIJJM-SFTDATJTSA-N
MW532.69 g/mol
LogP4.18
Rot. Bonds7

About N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine

N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine (PubChem CID 59703373) has the molecular formula C30H40N6O3 and a molecular weight of 532.69 g/mol. Its IUPAC name is N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine
PubChem CID59703373
Molecular FormulaC30H40N6O3
Molecular Weight532.69 g/mol
Exact Mass532.32
IUPAC NameN-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CNC1CCCC1
InChIInChI=1S/C30H40N6O3/c1-20-18-38-14-12-35(20)29-25-9-10-26(32-28(25)33-30(34-29)36-13-15-39-19-21(36)2)22-8-11-27(37-3)23(16-22)17-31-24-6-4-5-7-24/h8-11,16,20-21,24,31H,4-7,12-15,17-19H2,1-3H3/t20-,21-/m0/s1
InChIKeyNQFWHPQMBHIJJM-SFTDATJTSA-N
XLogP4.18
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.69
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine (CID 59703373) is N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine is COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CNC1CCCC1.
What is the InChIKey of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine?
The InChIKey is NQFWHPQMBHIJJM-SFTDATJTSA-N. The full InChI is InChI=1S/C30H40N6O3/c1-20-18-38-14-12-35(20)29-25-9-10-26(32-28(25)33-30(34-29)36-13-15-39-19-21(36)2)22-8-11-27(37-3)23(16-22)17-31-24-6-4-5-7-24/h8-11,16,20-21,24,31H,4-7,12-15,17-19H2,1-3H3/t20-,21-/m0/s1.
What are the key properties of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine?
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine has a molecular weight of 532.69 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]cyclopentanamine is sourced from PubChem (CID 59703373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).