8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine

C22H23N7 — CID 73387065

IUPAC8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC3CC3)c2n1
InChIInChI=1S/C22H23N7/c1-14-9-16(18-12-26-29(2)13-18)5-6-19(14)27-22-25-11-17-7-8-23-21(20(17)28-22)24-10-15-3-4-15/h5-9,11-13,15H,3-4,10H2,1-2H3,(H,23,24)(H,25,27,28)
InChIKeyJRGQKNKLDYZXPO-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.30
Rot. Bonds6

About 8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine

8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 73387065) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID73387065
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC3CC3)c2n1
InChIInChI=1S/C22H23N7/c1-14-9-16(18-12-26-29(2)13-18)5-6-19(14)27-22-25-11-17-7-8-23-21(20(17)28-22)24-10-15-3-4-15/h5-9,11-13,15H,3-4,10H2,1-2H3,(H,23,24)(H,25,27,28)
InChIKeyJRGQKNKLDYZXPO-UHFFFAOYSA-N
XLogP4.30
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
ML323
CID 60167849
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
PF-04254644
CID 24871823
Ldn-212854
CID 60182388
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100

Frequently Asked Questions

What is the IUPAC name of 8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine (CID 73387065) is 8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine is Cc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC3CC3)c2n1.
What is the InChIKey of 8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is JRGQKNKLDYZXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-14-9-16(18-12-26-29(2)13-18)5-6-19(14)27-22-25-11-17-7-8-23-21(20(17)28-22)24-10-15-3-4-15/h5-9,11-13,15H,3-4,10H2,1-2H3,(H,23,24)(H,25,27,28).
What are the key properties of 8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine?
8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 385.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(cyclopropylmethyl)-2-N-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 73387065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).