N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine

C25H29N9O2 — CID 11950964

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCOCC3)nc(N3CCC[C@H]3c3cc(-c4cccnc4C)no3)n2)n[nH]1
InChIInChI=1S/C25H29N9O2/c1-16-13-23(31-30-16)27-22-15-24(33-9-11-35-12-10-33)29-25(28-22)34-8-4-6-20(34)21-14-19(32-36-21)18-5-3-7-26-17(18)2/h3,5,7,13-15,20H,4,6,8-12H2,1-2H3,(H2,27,28,29,30,31)/t20-/m0/s1
InChIKeyHFNWWTWXYQGTMB-FQEVSTJZSA-N
MW487.57 g/mol
LogP3.79
Rot. Bonds6

About N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 11950964) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID11950964
Molecular FormulaC25H29N9O2
Molecular Weight487.57 g/mol
Exact Mass487.24
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCOCC3)nc(N3CCC[C@H]3c3cc(-c4cccnc4C)no3)n2)n[nH]1
InChIInChI=1S/C25H29N9O2/c1-16-13-23(31-30-16)27-22-15-24(33-9-11-35-12-10-33)29-25(28-22)34-8-4-6-20(34)21-14-19(32-36-21)18-5-3-7-26-17(18)2/h3,5,7,13-15,20H,4,6,8-12H2,1-2H3,(H2,27,28,29,30,31)/t20-/m0/s1
InChIKeyHFNWWTWXYQGTMB-FQEVSTJZSA-N
XLogP3.79
TPSA121.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 68868824
3-[4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]propanenitrile
CID 68813864
2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 68815931
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 11315620
6-iodo-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 11409698
N-(5-methyl-1H-pyrazol-3-yl)-6-(3-morpholin-4-ylpropoxy)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 68814631
6-(3-aminoprop-1-ynyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 68816102
N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine
CID 68814017
6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)azetidin-1-yl]pyrimidin-4-amine
CID 11852277
6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 11951842
N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 68813663
6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 87748067

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine (CID 11950964) is N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine is Cc1cc(Nc2cc(N3CCOCC3)nc(N3CCC[C@H]3c3cc(-c4cccnc4C)no3)n2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is HFNWWTWXYQGTMB-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-16-13-23(31-30-16)27-22-15-24(33-9-11-35-12-10-33)29-25(28-22)34-8-4-6-20(34)21-14-19(32-36-21)18-5-3-7-26-17(18)2/h3,5,7,13-15,20H,4,6,8-12H2,1-2H3,(H2,27,28,29,30,31)/t20-/m0/s1.
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 487.57 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 11950964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).