1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one

C23H24N10O — CID 154653644

IUPAC1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one
SMILESO=c1cc(-c2nn[nH]n2)ccn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(C4CC4)cn3)C2)nc1
InChIInChI=1S/C23H24N10O/c34-21-9-15(22-29-31-32-30-22)7-8-33(21)19-5-6-20(24-13-19)27-17-3-4-18(10-17)28-23-25-11-16(12-26-23)14-1-2-14/h5-9,11-14,17-18H,1-4,10H2,(H,24,27)(H,25,26,28)(H,29,30,31,32)/t17-,18-/m0/s1
InChIKeyBFHYILLWXCTOHW-ROUUACIJSA-N
MW456.51 g/mol
LogP2.53
Rot. Bonds7

About 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one

1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one (PubChem CID 154653644) has the molecular formula C23H24N10O and a molecular weight of 456.51 g/mol. Its IUPAC name is 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one
PubChem CID154653644
Molecular FormulaC23H24N10O
Molecular Weight456.51 g/mol
Exact Mass456.21
IUPAC Name1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one
SMILESO=c1cc(-c2nn[nH]n2)ccn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(C4CC4)cn3)C2)nc1
InChIInChI=1S/C23H24N10O/c34-21-9-15(22-29-31-32-30-22)7-8-33(21)19-5-6-20(24-13-19)27-17-3-4-18(10-17)28-23-25-11-16(12-26-23)14-1-2-14/h5-9,11-14,17-18H,1-4,10H2,(H,24,27)(H,25,26,28)(H,29,30,31,32)/t17-,18-/m0/s1
InChIKeyBFHYILLWXCTOHW-ROUUACIJSA-N
XLogP2.53
TPSA139.19 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one?
The IUPAC name of 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one (CID 154653644) is 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one.
What is the SMILES notation for 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one?
The canonical SMILES for 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one is O=c1cc(-c2nn[nH]n2)ccn1-c1ccc(N[C@H]2CC[C@H](Nc3ncc(C4CC4)cn3)C2)nc1.
What is the InChIKey of 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one?
The InChIKey is BFHYILLWXCTOHW-ROUUACIJSA-N. The full InChI is InChI=1S/C23H24N10O/c34-21-9-15(22-29-31-32-30-22)7-8-33(21)19-5-6-20(24-13-19)27-17-3-4-18(10-17)28-23-25-11-16(12-26-23)14-1-2-14/h5-9,11-14,17-18H,1-4,10H2,(H,24,27)(H,25,26,28)(H,29,30,31,32)/t17-,18-/m0/s1.
What are the key properties of 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one?
1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one has a molecular weight of 456.51 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]-4-(2H-tetrazol-5-yl)pyridin-2-one is sourced from PubChem (CID 154653644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).