2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine

C23H29N5O — CID 157045295

IUPAC2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine
SMILESCc1ccc2c(C(C)C)nc([C@@H]3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)nc2n1
InChIInChI=1S/C23H29N5O/c1-13(2)21-19-8-5-14(3)25-23(19)27-22(26-21)16-9-15(4)29-20(10-16)17-11-24-28(12-17)18-6-7-18/h5,8,11-13,15-16,18,20H,6-7,9-10H2,1-4H3/t15-,16-,20+/m1/s1
InChIKeyDQLBZUAATBTERT-QINHECLXSA-N
MW391.52 g/mol
LogP5.01
Rot. Bonds4

About 2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine

2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine (PubChem CID 157045295) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine
PubChem CID157045295
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine
SMILESCc1ccc2c(C(C)C)nc([C@@H]3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)nc2n1
InChIInChI=1S/C23H29N5O/c1-13(2)21-19-8-5-14(3)25-23(19)27-22(26-21)16-9-15(4)29-20(10-16)17-11-24-28(12-17)18-6-7-18/h5,8,11-13,15-16,18,20H,6-7,9-10H2,1-4H3/t15-,16-,20+/m1/s1
InChIKeyDQLBZUAATBTERT-QINHECLXSA-N
XLogP5.01
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine?
The IUPAC name of 2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine (CID 157045295) is 2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine is Cc1ccc2c(C(C)C)nc([C@@H]3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)nc2n1.
What is the InChIKey of 2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine?
The InChIKey is DQLBZUAATBTERT-QINHECLXSA-N. The full InChI is InChI=1S/C23H29N5O/c1-13(2)21-19-8-5-14(3)25-23(19)27-22(26-21)16-9-15(4)29-20(10-16)17-11-24-28(12-17)18-6-7-18/h5,8,11-13,15-16,18,20H,6-7,9-10H2,1-4H3/t15-,16-,20+/m1/s1.
What are the key properties of 2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine?
2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine has a molecular weight of 391.52 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-7-methyl-4-propan-2-ylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 157045295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).