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

C26H32N6O3 — CID 57441955

IUPAC4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C(=O)N(C)C)cc3)nc2n1
InChIInChI=1S/C26H32N6O3/c1-17-15-34-13-11-31(17)24-21-9-10-22(19-5-7-20(8-6-19)25(33)30(3)4)27-23(21)28-26(29-24)32-12-14-35-16-18(32)2/h5-10,17-18H,11-16H2,1-4H3/t17-,18-/m0/s1
InChIKeyDMOJWHSQRSDWPB-ROUUACIJSA-N
MW476.58 g/mol
LogP2.84
Rot. Bonds4

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

4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide (PubChem CID 57441955) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide
PubChem CID57441955
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C(=O)N(C)C)cc3)nc2n1
InChIInChI=1S/C26H32N6O3/c1-17-15-34-13-11-31(17)24-21-9-10-22(19-5-7-20(8-6-19)25(33)30(3)4)27-23(21)28-26(29-24)32-12-14-35-16-18(32)2/h5-10,17-18H,11-16H2,1-4H3/t17-,18-/m0/s1
InChIKeyDMOJWHSQRSDWPB-ROUUACIJSA-N
XLogP2.84
TPSA83.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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,N-dimethylbenzamide?
The IUPAC name of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide (CID 57441955) is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(C(=O)N(C)C)cc3)nc2n1.
What is the InChIKey of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide?
The InChIKey is DMOJWHSQRSDWPB-ROUUACIJSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-17-15-34-13-11-31(17)24-21-9-10-22(19-5-7-20(8-6-19)25(33)30(3)4)27-23(21)28-26(29-24)32-12-14-35-16-18(32)2/h5-10,17-18H,11-16H2,1-4H3/t17-,18-/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,N-dimethylbenzamide?
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide has a molecular weight of 476.58 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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,N-dimethylbenzamide is sourced from PubChem (CID 57441955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).