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

C22H22ClN5O2 — CID 155131278

IUPAC3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide
SMILESC[C@H]1COCCN1c1nc(Cl)nc2nc(-c3cccc(C(=O)NC4CC4)c3)ccc12
InChIInChI=1S/C22H22ClN5O2/c1-13-12-30-10-9-28(13)20-17-7-8-18(25-19(17)26-22(23)27-20)14-3-2-4-15(11-14)21(29)24-16-5-6-16/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H,24,29)/t13-/m0/s1
InChIKeyJFWUVNDJGVMMGB-ZDUSSCGKSA-N
MW423.90 g/mol
LogP3.46
Rot. Bonds4

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

3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide (PubChem CID 155131278) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide
PubChem CID155131278
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide
SMILESC[C@H]1COCCN1c1nc(Cl)nc2nc(-c3cccc(C(=O)NC4CC4)c3)ccc12
InChIInChI=1S/C22H22ClN5O2/c1-13-12-30-10-9-28(13)20-17-7-8-18(25-19(17)26-22(23)27-20)14-3-2-4-15(11-14)21(29)24-16-5-6-16/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H,24,29)/t13-/m0/s1
InChIKeyJFWUVNDJGVMMGB-ZDUSSCGKSA-N
XLogP3.46
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(oxan-4-yl)benzamide
CID 57463677
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 25262792
3-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
CID 76539908
N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 58279487
3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide;N-methyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide;7-oxa-2-azaspiro[3.5]nonane
CID 159141247
N-methyl-3-[2-[(3S)-3-methylmorpholin-4-yl]-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 118591386
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-(2H-pyrrol-5-yl)benzamide
CID 58279480
5-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxybenzoic acid
CID 155131203
3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 147794697
3-[2-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155239057
7-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine
CID 155131200
N-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]methyl]cyclopropanamine
CID 57463679

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide?
The IUPAC name of 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide (CID 155131278) is 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide is C[C@H]1COCCN1c1nc(Cl)nc2nc(-c3cccc(C(=O)NC4CC4)c3)ccc12.
What is the InChIKey of 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide?
The InChIKey is JFWUVNDJGVMMGB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-13-12-30-10-9-28(13)20-17-7-8-18(25-19(17)26-22(23)27-20)14-3-2-4-15(11-14)21(29)24-16-5-6-16/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3,(H,24,29)/t13-/m0/s1.
What are the key properties of 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide?
3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide has a molecular weight of 423.90 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 155131278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).