4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine

C23H29N7O2 — CID 57442008

IUPAC4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine
SMILESCNc1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccn1
InChIInChI=1S/C23H29N7O2/c1-15-13-31-10-8-29(15)22-18-4-5-19(17-6-7-25-20(12-17)24-3)26-21(18)27-23(28-22)30-9-11-32-14-16(30)2/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,24,25)/t15-,16-/m0/s1
InChIKeyDDXYWOMOQVUWDK-HOTGVXAUSA-N
MW435.53 g/mol
LogP2.58
Rot. Bonds4

About 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine

4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine (PubChem CID 57442008) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine
PubChem CID57442008
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine
SMILESCNc1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccn1
InChIInChI=1S/C23H29N7O2/c1-15-13-31-10-8-29(15)22-18-4-5-19(17-6-7-25-20(12-17)24-3)26-21(18)27-23(28-22)30-9-11-32-14-16(30)2/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,24,25)/t15-,16-/m0/s1
InChIKeyDDXYWOMOQVUWDK-HOTGVXAUSA-N
XLogP2.58
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine (CID 57442008) is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine is CNc1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccn1.
What is the InChIKey of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine?
The InChIKey is DDXYWOMOQVUWDK-HOTGVXAUSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-15-13-31-10-8-29(15)22-18-4-5-19(17-6-7-25-20(12-17)24-3)26-21(18)27-23(28-22)30-9-11-32-14-16(30)2/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,24,25)/t15-,16-/m0/s1.
What are the key properties of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine?
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine has a molecular weight of 435.53 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 57442008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).